SCHEMBL5376441

SCHEMBL5376441

CCOc1nn(Cc2ccc(OCc3cn(-c4ccccn4)nc3C)cc2)cc1CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 12/20 0.42
FFAR1 O14842 11/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
DGAT1 O75907 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
CYP2C9 P11712 1/20 0.36
AKR1B1 P15121 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5385710 0.93 DGAT1 (0.36) FFAR4FFAR1DGAT1PTGDR2
SCHEMBL7543721 0.85 DGAT1 (0.36) DGAT1
SCHEMBL6034575 0.85 FFAR1 (0.53) FFAR4FFAR1AKR1B1
SCHEMBL5382748 0.83 HDAC1 (0.41) FFAR4FFAR1DGAT1PTGDR2
SCHEMBL5373798 0.83 FFAR1 (0.54) FFAR4FFAR1PTGDR2AKR1B1
SCHEMBL7543726 0.79 CYP4F2 (0.34) FFAR4FFAR1L3MBTL1DGAT1PTGDR2
SCHEMBL6035222 0.79 PTGDR2 (0.46) FFAR4FFAR1L3MBTL1DGAT1PTGDR2
SCHEMBL5377419 0.78 P2RX3 (0.44) FFAR4FFAR1CYP2C9
SCHEMBL5376906 0.78 FFAR1 (0.45) FFAR4FFAR1L3MBTL1CYP2C9
SCHEMBL5374629 0.77 PPARG (0.46) FFAR4FFAR1L3MBTL1PTGDR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US claimed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP claimed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP claimed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP claimed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO claimed
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed